[(2R)-oxolan-2-yl]methyl (4S)-4-(3,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate

Formula:C26H33NO6 Mutagenic:none Tumorigenic:none Reproductive Effective:none [(2R)-oxolan-2-yl]methyl (4S)-4-(3,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate is a drug-like molecule.

MolName	[(2R)-oxolan-2-yl]methyl (4S)-4-(3,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
MolecularFormula	C26H33NO6
Smiles	CC(C)(C1)CC(NC(C)=C([C@H]2c(cc3)cc(OC)c3OC)C(OC[C@@H]3OCCC3)=O)=C2C1=O
InChI	InChI=1S/C26H33NO6/c1-15-22(25(29)33-14-17-7-6-10-32-17)23(16-8-9-20(30-4)21(11-16)31-5)24-18(27-15)12-26(2,3)13-19(24)28/h8-9,11,17,23,27H,6-7,10,12-14H2,1-5H3/t17-,23-/m1/s1
InChIK	GDUFQSGZDOZFBX-UZUQRXQVSA-N
TotalMolweight	455.549
Molweight	455.549
MonoisotopicMass	455.230789
CLogP	3.7671
CLogS	-4.505
H Acceptors	7
H Donors	1
TotalSurfaceArea	344.83
Relative PSA	0.22486
PolarSurfaceArea	83.09
Druglikeness	-0.30596
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.42424
Fragments	1
Non HAtoms	33
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	2
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	18
Symmetricatoms	1
StereoCon	this enantiomer

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1 - [(2R)-oxolan-2-yl]methyl (4S)-4-(3,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate | 2 - [(2R)-oxolan-2-yl]methyl (4S)-4-(3,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate

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